3-nitro-N-[3-[(3-nitrobenzoyl)amino]naphthalen-2-yl]benzamide

C24H16N4O6 — CID 4301788

IUPAC3-nitro-N-[3-[(3-nitrobenzoyl)amino]naphthalen-2-yl]benzamide
SMILESO=C(Nc1cc2ccccc2cc1NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C24H16N4O6/c29-23(17-7-3-9-19(11-17)27(31)32)25-21-13-15-5-1-2-6-16(15)14-22(21)26-24(30)18-8-4-10-20(12-18)28(33)34/h1-14H,(H,25,29)(H,26,30)
InChIKeyPXANKZPYQMPYEX-UHFFFAOYSA-N
MW456.41 g/mol
LogP5.16
Rot. Bonds6

About 3-nitro-N-[3-[(3-nitrobenzoyl)amino]naphthalen-2-yl]benzamide

3-nitro-N-[3-[(3-nitrobenzoyl)amino]naphthalen-2-yl]benzamide (PubChem CID 4301788) has the molecular formula C24H16N4O6 and a molecular weight of 456.41 g/mol. Its IUPAC name is 3-nitro-N-[3-[(3-nitrobenzoyl)amino]naphthalen-2-yl]benzamide.

Molecular Properties

Compound Name3-nitro-N-[3-[(3-nitrobenzoyl)amino]naphthalen-2-yl]benzamide
PubChem CID4301788
Molecular FormulaC24H16N4O6
Molecular Weight456.41 g/mol
Exact Mass456.11
IUPAC Name3-nitro-N-[3-[(3-nitrobenzoyl)amino]naphthalen-2-yl]benzamide
SMILESO=C(Nc1cc2ccccc2cc1NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C24H16N4O6/c29-23(17-7-3-9-19(11-17)27(31)32)25-21-13-15-5-1-2-6-16(15)14-22(21)26-24(30)18-8-4-10-20(12-18)28(33)34/h1-14H,(H,25,29)(H,26,30)
InChIKeyPXANKZPYQMPYEX-UHFFFAOYSA-N
XLogP5.16
TPSA144.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.41
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
N-(2-acetamidophenyl)-3-nitrobenzamide
CID 3509024
N-(2,4-dinitrophenyl)-3-nitrobenzamide
CID 3427628
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
N-(2-acetamido-5-methoxyphenyl)-3-nitrobenzamide
CID 51092432
7-hydroxy-6-[(3-nitrobenzoyl)amino]naphthalene-2-sulfonic acid
CID 23348424
N-(5-fluoro-2-hydroxyphenyl)-3-nitrobenzamide
CID 90714767
2-[(3-nitrobenzoyl)amino]-N-propan-2-ylbenzamide
CID 4945339
N-(3-benzamido-4-chlorophenyl)-3-nitrobenzamide
CID 4620848
N-(4-benzamido-3-methylphenyl)-3-nitrobenzamide
CID 3697987
2-[(3-nitrobenzoyl)amino]-4-phenoxybenzoic acid
CID 67342906
1-N,3-N-bis(2,4-dinitrophenyl)benzene-1,3-dicarboxamide
CID 628714

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[3-[(3-nitrobenzoyl)amino]naphthalen-2-yl]benzamide?
The IUPAC name of 3-nitro-N-[3-[(3-nitrobenzoyl)amino]naphthalen-2-yl]benzamide (CID 4301788) is 3-nitro-N-[3-[(3-nitrobenzoyl)amino]naphthalen-2-yl]benzamide.
What is the SMILES notation for 3-nitro-N-[3-[(3-nitrobenzoyl)amino]naphthalen-2-yl]benzamide?
The canonical SMILES for 3-nitro-N-[3-[(3-nitrobenzoyl)amino]naphthalen-2-yl]benzamide is O=C(Nc1cc2ccccc2cc1NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N-[3-[(3-nitrobenzoyl)amino]naphthalen-2-yl]benzamide?
The InChIKey is PXANKZPYQMPYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4O6/c29-23(17-7-3-9-19(11-17)27(31)32)25-21-13-15-5-1-2-6-16(15)14-22(21)26-24(30)18-8-4-10-20(12-18)28(33)34/h1-14H,(H,25,29)(H,26,30).
What are the key properties of 3-nitro-N-[3-[(3-nitrobenzoyl)amino]naphthalen-2-yl]benzamide?
3-nitro-N-[3-[(3-nitrobenzoyl)amino]naphthalen-2-yl]benzamide has a molecular weight of 456.41 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[3-[(3-nitrobenzoyl)amino]naphthalen-2-yl]benzamide is sourced from PubChem (CID 4301788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).